(3S,4R)-3,4-bis[(6-nitro-1,3-benzodioxol-5-yl)methyl]oxolan-2-one

Systemtic Name: (3S,4R)-3,4-bis[(6-nitro-1,3-benzodioxol-5-yl)methyl]oxolan-2-one Openeye Name: (3S,4R)-3,4-bis[(6-nitro-1,3-benzodioxol-5-yl)methyl]tetrahydrofuran-2-one CAS Name: (3S,4R)-3,4-bis[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-oxolanone IUPAC Name: (3S,4R)-3,4-bis[(6-nitro-1,3-benzodioxol-5-yl)methyl]oxolan-2-one Traditional Name: (3S,4R)-3,4-bis[(6-nitro-1,3-benzodioxol-5-yl)methyl]tetrahydrofuran-2-one Formula: C20H16N2O10 MolecularWeight: 444.34844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(=O)O1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1[C@@H]([C@@H](C(=O)O1)CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C20H16N2O10/c23-20-13(2-11-4-17-19(32-9-30-17)6-15(11)22(26)27)12(7-28-20)1-10-3-16-18(31-8-29-16)5-14(10)21(24)25/h3-6,12-13H,1-2,7-9H2/t12-,13-/m0/s1